[4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

C20H25N3O4S2 — CID 25102502

IUPAC[4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H25N3O4S2/c24-18-5-2-1-4-17(18)21-11-13-22(14-12-21)20(25)16-7-9-23(10-8-16)29(26,27)19-6-3-15-28-19/h1-6,15-16,24H,7-14H2
InChIKeyJUFAOADQNMFRAN-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.20
Rot. Bonds4

About [4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone

[4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 25102502) has the molecular formula C20H25N3O4S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is [4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
PubChem CID25102502
Molecular FormulaC20H25N3O4S2
Molecular Weight435.57 g/mol
Exact Mass435.13
IUPAC Name[4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H25N3O4S2/c24-18-5-2-1-4-17(18)21-11-13-22(14-12-21)20(25)16-7-9-23(10-8-16)29(26,27)19-6-3-15-28-19/h1-6,15-16,24H,7-14H2
InChIKeyJUFAOADQNMFRAN-UHFFFAOYSA-N
XLogP2.20
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone (CID 25102502) is [4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of [4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is JUFAOADQNMFRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S2/c24-18-5-2-1-4-17(18)21-11-13-22(14-12-21)20(25)16-7-9-23(10-8-16)29(26,27)19-6-3-15-28-19/h1-6,15-16,24H,7-14H2.
What are the key properties of [4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone?
[4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 435.57 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyphenyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 25102502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).